N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine

C17H33N3 — CID 106024325

IUPACN-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H33N3/c1-5-9-11-15(10-6-2)18-14-16-12-13-20(19-16)17(7-3)8-4/h12-13,15,17-18H,5-11,14H2,1-4H3
InChIKeyDIWUBPQVYLSKJR-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.69
Rot. Bonds11

About N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine (PubChem CID 106024325) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
PubChem CID106024325
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccn(C(CC)CC)n1
InChIInChI=1S/C17H33N3/c1-5-9-11-15(10-6-2)18-14-16-12-13-20(19-16)17(7-3)8-4/h12-13,15,17-18H,5-11,14H2,1-4H3
InChIKeyDIWUBPQVYLSKJR-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ylhydrazine
CID 105313398
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 114161157
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 115807945
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
methyl 2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propanoate
CID 64801059
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine?
The IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine (CID 106024325) is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine.
What is the SMILES notation for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine?
The canonical SMILES for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine is CCCCC(CCC)NCc1ccn(C(CC)CC)n1.
What is the InChIKey of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine?
The InChIKey is DIWUBPQVYLSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-9-11-15(10-6-2)18-14-16-12-13-20(19-16)17(7-3)8-4/h12-13,15,17-18H,5-11,14H2,1-4H3.
What are the key properties of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine?
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine is sourced from PubChem (CID 106024325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).